2-ethoxy-3-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]propanoate

Systemtic Name: 2-ethoxy-3-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]propanoate Openeye Name: 2-ethoxy-3-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]propanoate CAS Name: 2-ethoxy-3-[4-[3-[[(2-methyl-1-oxooctyl)amino]methyl]phenyl]phenyl]propanoate IUPAC Name: 2-ethoxy-3-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]propanoate Traditional Name: 2-ethoxy-3-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]propionate Formula: C27H36NO4- MolecularWeight: 438.57904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)[O-])OCC

Isomeric SMILES

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)[O-])OCC

InChI

InChI=1S/C27H37NO4/c1-4-6-7-8-10-20(3)26(29)28-19-22-11-9-12-24(17-22)23-15-13-21(14-16-23)18-25(27(30)31)32-5-2/h9,11-17,20,25H,4-8,10,18-19H2,1-3H3,(H,28,29)(H,30,31)/p-1